2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one

C13H24O4Si — CID 5036106

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
SMILESCOC1C(=O)C=COC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-11-12(15-4)10(14)7-8-16-11/h7-8,11-12H,9H2,1-6H3
InChIKeyGWGVOINFXAUNAY-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.50
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one (PubChem CID 5036106) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
PubChem CID5036106
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
SMILESCOC1C(=O)C=COC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-11-12(15-4)10(14)7-8-16-11/h7-8,11-12H,9H2,1-6H3
InChIKeyGWGVOINFXAUNAY-UHFFFAOYSA-N
XLogP2.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-(((tert-Butyldimethylsilyl)oxy)methyl)-3-hydroxy-2,3-dihydro-4H-pyran-4-one, AldrichCPR
CID 6612648
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 24766658
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate
CID 9972032
(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 11471643
(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070166
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 134922321
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one
CID 335649
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 335650
3-Methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one
CID 18721087
3-[Tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one
CID 67838584
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one
CID 78061503
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one
CID 140974123

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one (CID 5036106) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one is COC1C(=O)C=COC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one?
The InChIKey is GWGVOINFXAUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-11-12(15-4)10(14)7-8-16-11/h7-8,11-12H,9H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one has a molecular weight of 272.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one is sourced from PubChem (CID 5036106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).